2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal

C26H52O10 — CID 87812515

IUPAC2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal
SMILESCCCCCCCC(C)(OC(C)OC(C)OC)C(C=O)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C26H52O10/c1-12-13-14-15-16-17-25(8,34-22(5)31-19(2)28-9)26(18-27,35-23(6)32-20(3)29-10)36-24(7)33-21(4)30-11/h18-24H,12-17H2,1-11H3
InChIKeyYFTDQQWXYICLMU-UHFFFAOYSA-N
MW524.69 g/mol
LogP5.12
Rot. Bonds23

About 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal

2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal (PubChem CID 87812515) has the molecular formula C26H52O10 and a molecular weight of 524.69 g/mol. Its IUPAC name is 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal.

Molecular Properties

Compound Name2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal
PubChem CID87812515
Molecular FormulaC26H52O10
Molecular Weight524.69 g/mol
Exact Mass524.36
IUPAC Name2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal
SMILESCCCCCCCC(C)(OC(C)OC(C)OC)C(C=O)(OC(C)OC(C)OC)OC(C)OC(C)OC
InChIInChI=1S/C26H52O10/c1-12-13-14-15-16-17-25(8,34-22(5)31-19(2)28-9)26(18-27,35-23(6)32-20(3)29-10)36-24(7)33-21(4)30-11/h18-24H,12-17H2,1-11H3
InChIKeyYFTDQQWXYICLMU-UHFFFAOYSA-N
XLogP5.12
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.69
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal?
The IUPAC name of 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal (CID 87812515) is 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal.
What is the SMILES notation for 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal?
The canonical SMILES for 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal is CCCCCCCC(C)(OC(C)OC(C)OC)C(C=O)(OC(C)OC(C)OC)OC(C)OC(C)OC.
What is the InChIKey of 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal?
The InChIKey is YFTDQQWXYICLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O10/c1-12-13-14-15-16-17-25(8,34-22(5)31-19(2)28-9)26(18-27,35-23(6)32-20(3)29-10)36-24(7)33-21(4)30-11/h18-24H,12-17H2,1-11H3.
What are the key properties of 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal?
2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal has a molecular weight of 524.69 g/mol, XLogP of 5.12, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-tris[1-(1-methoxyethoxy)ethoxy]-3-methyldecanal is sourced from PubChem (CID 87812515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).